2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate

C9H13NO3S — CID 80751501

IUPAC2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OCCc1cccs1
InChIInChI=1S/C9H13NO3S/c10-8(6-11)9(12)13-4-3-7-2-1-5-14-7/h1-2,5,8,11H,3-4,6,10H2/t8-/m1/s1
InChIKeyMXTIWRXSZXZLPD-MRVPVSSYSA-N
MW215.27 g/mol
LogP0.15
Rot. Bonds5

About 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate

2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 80751501) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
PubChem CID80751501
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OCCc1cccs1
InChIInChI=1S/C9H13NO3S/c10-8(6-11)9(12)13-4-3-7-2-1-5-14-7/h1-2,5,8,11H,3-4,6,10H2/t8-/m1/s1
InChIKeyMXTIWRXSZXZLPD-MRVPVSSYSA-N
XLogP0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
CID 62479012
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
2-thiophen-2-ylethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66000795
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
2-thiophen-2-ylethyl nitrate
CID 54344199

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate (CID 80751501) is 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate is N[C@H](CO)C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is MXTIWRXSZXZLPD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO3S/c10-8(6-11)9(12)13-4-3-7-2-1-5-14-7/h1-2,5,8,11H,3-4,6,10H2/t8-/m1/s1.
What are the key properties of 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate?
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 215.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 80751501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).